AG006BHM

913836-06-3 | 4-(2-Bromoethoxy)phenylboronic acid

AG006BHM

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CAS Number	913836-06-3
Catalog Number	AG006BHM(AGN-PC-07138X)
Chemical Name	4-(2-Bromoethoxy)phenylboronic acid
IUPAC Name	[4-(2-bromoethoxy)phenyl]boronic acid
InChI	InChI=1S/C8H10BBrO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,5-6H2
InChI Key	IJUQRBJDVKMDFJ-UHFFFAOYSA-N
MDL Number	MFCD09027232
Molecular Formula	C8H10BBrO3
Molecular Weight	244.8782
SMILES	BrCCOC1=CC=C(B(O)O)C=C1
Synonyms	913836-06-3, (4-(2-Bromoethoxy)phenyl)boronic acid, 4-(2-Bromoethoxy)phenylboronic acid, 4-(2-Bromoethoxy)benzeneboronic acid, [4-(2-Bromoethoxy)phenyl]boronic acid, ACMC-209raq, CTK3I6396, DTXSID60657195, ZX-AT002831, ANW-39648, MFCD09027232, OR3771, AKOS015836159, ZINC169745631, PS-9645, RTR-028697, Boronicacid,b-[4-(2-bromoethoxy)phenyl]-, AX8229985, ST2402373, TR-028697, Boronicacid, B-[4-(2-bromoethoxy)phenyl]-, FT-0687787, V9044, A-4635, I04-1835, C8H10BBrO3, (4-(2-Bromoethoxy)phenyl)boronicacid,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.879g/mol
Monoisotopic Mass	243.991g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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